⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11300925 | 0.73 | — | — | |
| SCHEMBL11226299 | 0.70 | — | — | |
| SCHEMBL15355169 | 0.69 | POLB (0.32) | — | |
| SCHEMBL510110 | 0.69 | HTT (0.33) | — | |
| SCHEMBL764558 | 0.69 | POLB (0.32) | — | |
| SCHEMBL24598796 | 0.68 | — | — | |
| SCHEMBL3021291 | 0.68 | — | — | |
| SCHEMBL4904965 | 0.68 | PDK1 (0.32) | — | |
| SCHEMBL17077319 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8871115 | 0.67 | HTT (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11730720-B2 | ALK5 inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2023-08-22 | — | — | US | disclosed |
| US-11730720-B2 | ALK5 inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2023-08-22 | — | — | US | disclosed |
| US-20210154178-A1 | ALK5 INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-05-27 | — | — | US | disclosed |
| US-10952996-B2 | ALK5 inhibitors | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-03-23 | — | — | US | disclosed |
| WO-2020123453-A2 | ALK5 INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2020-06-18 | — | — | WO | disclosed |
| US-20200188370-A1 | ALK5 INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2020-06-18 | — | — | US | disclosed |